2-azanylidene-4-(4-chlorophenyl)-6-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4,5-dihydropyrimidine-3-carbonitrile

Systemtic Name: 2-azanylidene-4-(4-chlorophenyl)-6-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4,5-dihydropyrimidine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile Formula: C21H17ClN5O2+ MolecularWeight: 406.84498

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=N)N(C(C3)C4=CC=C(C=C4)Cl)C#N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=N)N(C(C3)C4=CC=C(C=C4)Cl)C#N)O

InChI

InChI=1S/C21H16ClN5O2/c1-26-16-5-3-2-4-14(16)19(28)18(20(26)29)15-10-17(27(11-23)21(24)25-15)12-6-8-13(22)9-7-12/h2-9,17-18,24H,10H2,1H3/p+1